Abstract
The reaction kinetics of dimethyl ether (CH3OCH3) with O(3P) and hydrogen atom have been studied. Electronic energies were calculated by single-point energy calculations at the CCSD(T)/cc-PVnZ (n = D, T, Q) levels. Rate coefficients of the reactions were calculated by the canonical variational transition state theory (CVT) with the small curvature tunneling (SCT) correction. The hydrogen-abstraction channels involve the formation of reactant complexes in the entrance channels and show positive temperature dependence. Their branching rates are almost 1.0 at the temperature less than 1000 K.
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